Geometry & MOs

Info

ID:

82999

PubChem CID:

49856971

Reduced:

NOPC27H38 (1)

Stoich.:

ABCD27E38 (1)

Weight, g/mol:

392.180818

ΔHf, kcal/mol:

-55.7

Dipole, Da:

1.23

IP(EA), eV:

 -8.25(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxy-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)P(CC(C)(C)C2=N[C@H](CO2)C(C)(C)C)C3=C(C=CC=C3C)C

DOS

IR

Vibrations